CID 10922549

104358-16-9

Structural Information

Molecular Formula

C₁₆H₂₈O

SMILES

CCCC1CCC(CC1)C2CCC(CC2)C=O

InChI

InChI=1S/C16H28O/c1-2-3-13-4-8-15(9-5-13)16-10-6-14(12-17)7-11-16/h12-16H,2-11H2,1H3

InChIKey

MDRULEIRSQHRHT-UHFFFAOYSA-N

Compound name

4-(4-propylcyclohexyl)cyclohexane-1-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 89
Patents: 236.21402 Da
Monoisotopic Mass: 5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	237.22130	160.3
[M+Na]+	259.20324	161.9
[M-H]-	235.20674	164.8
[M+NH4]+	254.24784	177.6
[M+K]+	275.17718	158.8
[M+H-H2O]+	219.21128	153.0
[M+HCOO]-	281.21222	175.6
[M+CH3COO]-	295.22787	193.7
[M+Na-2H]-	257.18869	159.7
[M]+	236.21347	152.9
[M]-	236.21457	152.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe